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Home> Encyclopedia > Hot Product Listed 5   > 5-Bromo-N,2-dimethylaniline hydrochloride
1187386-32-8 structure

5-Bromo-N,2-dimethylaniline hydrochloride

Iupac Name:5-bromo-N,2-dimethylaniline;hydrochloride
CAS No.:1187386-32-8
Molecular Weight:236.537
Molecular Formula:C8H11BrClN (isomer)
Names and Identifiers
Synonyms

5-bromo-n,2-dimethylaniline hcl 5-bromo-n,2-dimethylaniline,hcl 5-bromo-N,2-dimethylaniline,hydrochloride 5-bromo-n,2-dimethylaniline--hydrogen chloride (1/1) A-5313 AK-90604 AKOS015908361 ANW-54344 AX8229113 CTK8B6785 DTXSID70675168 I14-24536 KB-42502 mfcd12756442 OR156997 ST2406150 TR-007945 Z8011

Inchi
InChI=1S/C8H10BrN.ClH/c1-6-3-4-7(9)5-8(6)10-2;/h3-5,10H,1-2H3;1H
InChkey
MJPCNUHVQHEASF-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=C(C=C1)Br)NC.Cl
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:236.537g/mol
  • Molecular Formula:C8H11BrClN
  • Compound Is Canonicalized:True
  • Exact Mass:234.976
  • Monoisotopic Mass:234.976
  • Complexity:105
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHABQAAABrAiBGAQywILAAACA AiRCQACCAAAhAgQIiIAIZKgIICLAkZGEIAhgkABIyhcQgAAOAgAAAAECAAAEAAAAAgQAAAAAAAAA AA==
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